Geometry & MOs

Info

ID:	410977
PubChem CID:	135083781
Reduced:	BBrON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	264.154557
ΔH_f, kcal/mol:	-46.09
Dipole, Da:	3.8
IP(EA), eV:	-9.22(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5,6,7,8,8a-hexahydro-1,2-benzodioxin-3-yl)but-1-ynyl-trimethylsilane

Drug info:

PubChemData

Smile

B1(NC2=CC=CC=C2C(=O)N1)C3=CC(=CC=C3)Br

DOS

IR

Vibrations